Interaction Scheme

Molecule

Methyl pyridinium paracyclophane iodide
MPCP

Host

Cb8
CB8

Indicator

Memantine
Memantine

Binding Properties

𝜈 Molecule 1 : 1 Host
Ka = 6.90⋅1013 ± 9.80⋅1012 M-1
Kd =
logKa = 13.84 ± 0.06
T 25.0 °C 298 K
Energy kJ mol-1 kcal mol-1
ΔG = -78.99 ± 0.35 -18.88 ± 0.08
These are the specifications of the determination of the experimental results.
Detection Method: Competitive
Assay Type: Competitive Binding Assay
Technique: Nuclear Magnetic Resonance
Nucleus H-1
Detailed information about the solvation.
Solvent System Single Solvent
Solvent Deuterium Oxide
Please find here information about the dataset this interaction is part of.
Citation:

L. Grimm, SupraBank 2024, Fluorescent Paracyclophanes: Unveiling Ultra-strong Binding with Cucurbit[8]uril in Aqueous Environments (dataset). https://doi.org/10.34804/supra.20240313527

Link: https://doi.org/10.34804/supra.20240313527
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Please find here information about the scholarly article describing the results derived from that data.

Binding Isotherm Simulations


The plot depicts the binding isotherm simulation of a 1:1 interaction of MPCP (2.8985507246376814e-13 M) and CB8 (0 — 5.797101449275363e-13 M).